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Also known as: 6296-53-3, N-(1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide, 3-acetylaminophthalic anhydride, 1,3-dioxo-2-isoindolineaceticacid, N-(1,3-dioxo-2-benzofuran-4-yl)acetamide, Acetamide, n-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)-
Molecular Formula
C10H7NO4
Molecular Weight
205.17  g/mol
InChI Key
PAUAJOABXCGLCN-UHFFFAOYSA-N

CAS 6296-53-3
1 2D Structure

CAS 6296-53-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide
2.1.2 InChI
InChI=1S/C10H7NO4/c1-5(12)11-7-4-2-3-6-8(7)10(14)15-9(6)13/h2-4H,1H3,(H,11,12)
2.1.3 InChI Key
PAUAJOABXCGLCN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)NC1=CC=CC2=C1C(=O)OC2=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6296-53-3

2. N-(1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide

3. 3-acetylaminophthalic Anhydride

4. 1,3-dioxo-2-isoindolineaceticacid

5. N-(1,3-dioxo-2-benzofuran-4-yl)acetamide

6. Acetamide, N-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)-

7. Mfcd00453138

8. N-(1,3-dihydro-1,3-dioxoisobenzofuran-4-yl)acetamide

9. N-(1,3-dioxo-4-isobenzofuranyl)acetamide

10. 4-acetamido-1,3-isobenzofurandione

11. Nsc16261

12. Acetamide,n-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)

13. N-(1,3-dioxo-1,3-dihydro-2-benzofuran-4-yl)acetamide

14. 3-acetamidopthalic Anhydride

15. Schembl303302

16. 3-acetamido-phthalic Anhydride

17. 3-acetylaminophthalsaureanhydrid

18. N-(1,3-dioxo-1,3-dihydro-isobenzofuran-4-yl)acetamide

19. Amy4064

20. Dtxsid00978816

21. Bcp09393

22. Cs-m2812

23. Nsc17048

24. Nsc-16261

25. Nsc-17048

26. Zinc97957375

27. Akos002687661

28. Ds-7780

29. Ac-30405

30. Sy046903

31. Db-024694

32. Ft-0767491

33. A854757

34. N-(1,3-dihydro-1,3-dioxo-4-isobenzofuranyl)acetamide

35. N-(1,3-dioxo-1,3-dihydroisobenzo[b]furan-4-yl)acetamide

36. N-(1,3-dioxo-1,3-dihydro-2-benzofuran-4-yl)ethanimidic Acid

37. Not Available;n-(1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)acetamide

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 205.17 g/mol
Molecular Formula C10H7NO4
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass205.03750770 g/mol
Monoisotopic Mass205.03750770 g/mol
Topological Polar Surface Area72.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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